2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H17FN4O — CID 80841360

IUPAC2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1ncc(F)c(NCC2CCCCC2O)n1
InChIInChI=1S/C11H17FN4O/c12-8-6-15-11(13)16-10(8)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H3,13,14,15,16)
InChIKeyOYJBMSBBSBXZIT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.16
Rot. Bonds3

About 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80841360) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80841360
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1ncc(F)c(NCC2CCCCC2O)n1
InChIInChI=1S/C11H17FN4O/c12-8-6-15-11(13)16-10(8)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H3,13,14,15,16)
InChIKeyOYJBMSBBSBXZIT-UHFFFAOYSA-N
XLogP1.16
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80841360) is 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Nc1ncc(F)c(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is OYJBMSBBSBXZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-8-6-15-11(13)16-10(8)14-5-7-3-1-2-4-9(7)17/h6-7,9,17H,1-5H2,(H3,13,14,15,16).
What are the key properties of 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80841360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).